Geometry & MOs

Info

ID:	84727
PubChem CID:	49869469
Reduced:	FO2N4C26H27 (1)
Stoich.:	AB2C4D26E27 (1)
Weight, g/mol:	244.096026
ΔH_f, kcal/mol:	-40.69
Dipole, Da:	3.65
IP(EA), eV:	-8.28(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-N-methyl-N-pyridazin-4-yl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2CC3CCCN3CC2C4=C1C=C(C=C4)N5C=CC(=CC5=O)OCC6=NC=C(C=C6)F

DOS

IR

Vibrations